(4-ethylpiperazin-4-ium-1-yl)-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-[(4-phenylphenoxy)methyl]-3-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-2-25-14-16-26(17-15-25)23(28)22-12-13-27(24-22)18-29-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-13H,2,14-18H2,1H3/p+1